SCHEMBL17440258

SCHEMBL17440258

CO[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[C@]1(C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.50
KDM1A O60341 1/20 0.39
MAOB P27338 1/20 0.39
CTSK P43235 2/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
HSD11B1 P28845 5/20 0.36
CYP2C9 P11712 1/20 0.36
GAA P10253 2/20 0.35
EPHX1 P07099 1/20 0.34
EPHX2 P34913 1/20 0.34
DRD2 P14416 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17440229 1.00 BTK (0.50) BTKKDM1AMAOBCTSKCA1
SCHEMBL6418270 0.76 BTK (0.51) BTKKDM1AMAOBCTSKCA1
SCHEMBL18929028 0.74 BTK (0.51) BTKKDM1AMAOBCTSKCA1
SCHEMBL14100893 0.73 BTK (0.49) BTKKDM1AMAOBCTSKCA1
SCHEMBL18901529 0.73 BTK (0.49) BTKKDM1AMAOBCTSKCA1
SCHEMBL572248 0.73 BTK (0.51) BTKKDM1AMAOBCTSKCA1
SCHEMBL12508237 0.72 BTK (0.50) BTKKDM1AMAOBCTSKCA1
SCHEMBL2195440 0.72 BTK (0.50) BTKKDM1AMAOBCTSKCA1
SCHEMBL1033706 0.72 BTK (0.50) BTKKDM1AMAOBCTSKCA1
SCHEMBL1137056 0.72 BTK (0.50) BTKKDM1AMAOBCTSKCA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9908895-B2 Tricyclic fused thiophene derivatives as JAK inhibitors INCYTE CORPORATION (US) 2018-03-06 US disclosed
US-20160024109-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS INCYTE HOLDINGS CORPORATION 2016-01-28 US disclosed
US-20160015695-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS INCYTE CORPORATION 2016-01-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160015695-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 BTK 11/4885KDM1A 1997/4885MAOB 4484/4885
US-20160024109-A1 TRICYCLIC FUSED THIOPHENE DERIVATIVES AS JAK INHIBITORS JAK1, JAK3, JAK2 BTK 11/4885KDM1A 1997/4885MAOB 4484/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.